• ETRI Journal
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• v.24 no.3
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• pp.221-225
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• 2002

We performed nonlinear transmission measurements and quantum-chemical calculations on dithienothiophene(DTT)-based molecules to gain insight into the effect of acceptor and donor groups on two-photon absorption(TPA) properties. The TPA intensity showed dispersion characteristics of the single-photon absorption spectrum. When the molecules included an asymmetric donor-acceptor pair, the single- and two-photon absorption maximum wavelengths were red-shifted more than when the molecules had a symmetric donor-donor structure. We interpreted this result as indicating that the $S_2$ state plays the dominating role in the absorption process of molecules with a symmetric structure. The experimental TPA ${\delta}$ values at the absorption peak wavelength showed a dependence on the structural variations. We found the self-consistent force-field theory and Hartree-Fock Hamiltonian with single configuration interaction formalism to be valid for evaluating TPA ${\delta}$. Although the quantum-chemical calculations slightly underestimated the experimental ${\delta}$ values obtained from nonlinear trans -mission measurements, they reasonably predicted the dependence of the ${\delta}$ value on the structural variations. We confirmed the role of molecular symmetry by observing that donor-donor substituted structure gave the highest experimental and theoretical TPA ${\delta}$ values and that the donor-acceptor substituted structure showed a greater red-shift in the TPA absorption maximum wavelength. Overall, the theoretical ${\delta}$ values of DTT-based molecules were in the order of $10^{-46}\;cm^4{\cdot}s{\cdot}photon^{-1}$ and are higher than that of AF-50 by nearly two orders of magnitude.

• Bulletin of the Korean Chemical Society
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• v.26 no.7
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• pp.1057-1064
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• 2005

Photoluminescence (PL) spectra of Eu(III) and Tb(III) complexes with mixed oxydiacetate (ODA) and 1,10-phenanthroline (phen) ligands and with homoleptic ODA reveal characteristic line-splitting at 10 K, depending on the site-symmetry of the lanthanide ion in the complex. The energy-level schemes of the $^7F_J$ states and the emitting levels for Eu(III) and Tb(III) ions have been proposed by simulating the line splitting in the framework of crystal-field Hamiltonian. The sets of refined crystal-field parameters for the experimentally determined sitesymmetry satisfactorily reproduce the experimental energy-level schemes. In addition, the PL quantum yield and the decay time were determined at room temperature. The PL quantum yields of [$Eu(ODA){\cdot}(phen){\cdot}4H_2O]^+$ and [Tb$(ODA){\cdot}(phen){\cdot}4H_2O]^+$ in the crystalline state (Q = 17.7 and Q = 56.6%, respectively) are much greater than those of [Eu($ODA)_3]^{3-}and\;[Tb(ODA)_3]^{3-}$(Q = 1.1 and Q = 1.3, respectively), due to the energy transfer from phen to the lanthanide ion. In the aqueous state, the relaxation of the phen moiety due to the solvent results in the reduction of the quantum yield and the shortening of the lifetime.

• Journal of Ocean Engineering and Technology
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• v.7 no.1
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• pp.13-24
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• 1993

The dispersion in the oscillatory flow generated by gravitational waves above the spatially periodic repples is studied. The steady parts of equations describing the orbit of the passive particle in a two dimensional field are assumed to be simply trigonometric functions. From the view point of nonlinear dynamics, the motion of the particle is chaotic under externally time-periodic perturbations which come from the wave motion. Two cases considered here are; (i) shallow water, and (ii) deep water approximation.

• Journal of the Korea Society of Computer and Information
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• v.20 no.5
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• pp.31-39
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• 2015

The degree-constrained minimum spanning tree (d-MST) problem is considered NP-complete for no exact solution-yielding polynomial algorithm has been proposed to. One thus has to resort to an heuristic approximate algorithm to obtain an optimal solution to this problem. This paper therefore presents a polynomial time algorithm which obtains an intial solution to the d-MST with the help of Kruskal's algorithm and performs k-opt on the initial solution obtained so as to derive the final optimal solution. When tested on 4 graphs, the algorithm has successfully obtained the optimal solutions.

• Journal of the Korean Society for Precision Engineering
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• v.20 no.10
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• pp.169-176
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• 2003

Genetic algorithm (GA), which has a powerful searching ability and is comparatively easy to use and also to apply, is in the spotlight in the field of the optimization for mechanical systems these days. However, it also contains some problems of slow convergence and low efficiency caused by a huge amount of repetitive computation. To improve the processing efficiency of repetitive computation, some papers have proposed paralleled GA these days. There are some cases that mention the use of gray code or suggest using gray code partially in GA to raise its slow convergence. Gray code is an encoding of numbers so that adjacent numbers have a single digit differing by 1. A binary gray code with n digits corresponds to a hamiltonian path on an n-dimensional hypercube (including direction reversals). The term gray code is open used to refer to a reflected code, or more specifically still, the binary reflected gray code. However, according to proposed reports, gray code GA has lower convergence about 10-20% comparing with binary code GA without presenting any results. This study proposes new Full gray code GA (FGGA) applying a gray code throughout all basic operation fields of GA, which has a good data processing ability to improve the slow convergence of binary code GA.

• Journal of the Korean Magnetic Resonance Society
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• v.24 no.1
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• pp.9-15
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• 2020

Nitrogen vacancy center (NV center) in diamond has recently been appeared as a promising candidate for hyperpolarization applications due to its optical pumping property by laser. Optically Detected Magnetic Resonance (ODMR) has been used as a conventional method to obtain the resonance spectrum of NV centers. ODMR, however, has a shortcoming of sensitivity and a limitation of subjects, such that the degree of hyperpolarization can hardly be estimated, and that the spins other than NV centers are invisible. In contrast, Electron Spin Resonance (ESR) spectroscopy is known to proportionally reflect the degree of spin polarization. In this work, we successfully observed the optically-induced hyperpolarization of NV spins in diamond through CW-ESR spectroscopy with an X-band system. All the NV peaks were identified by calculating the eigenvalues of NV spin Hamiltonian. The intensities of NV peaks were enhanced over 240 times after optical pumping. The enhanced peaks corresponding to the transition from |m_s=0> to |m_s=-1> revealed inverted phases, while other peaks remained in-phase. The optically-induced hyperpolarization on NV spins can be a useful polarization source, leading to ¹³C nuclear hyperpolarization in diamond.

• Proceedings of the Korean Society for Noise and Vibration Engineering Conference
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• 2001.11b
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• pp.799-804
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• 2001

Nonlinear normal mode (NNM) vibration, in a nonlinear dual mass Hamiltonian system, which has 6th order homogeneous polynomial as a nonlinear term, is studied in this paper. The existence, bifurcation, and the orbital stability of periodic motions are to be studied in the phase space. In order to find the analytic expression of the invariant curves in the Poincare Map, which is a mapping of a phase trajectory onto 2 dimensional surface in 4 dimensional phase space, Whittaker's Adelphic Integral, instead of the direct integration of the equations of motion or the Birkhotf-Gustavson (B-G) canonical transformation, is derived for small value of energy. It is revealed that the integral of motion by Adelphic Integral is essentially consistent with the one obtained from the B-G transformation method. The resulting expression of the invariant curves can be used for analyzing the behavior of NNM vibration in the Poincare Map.

• Bulletin of the Korean Chemical Society
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• v.22 no.9
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• pp.969-974
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• 2001

Model calculations for small molecules Li2, F2, LiF and BF have been performed at the Dirac-Fock level of theory using Dirac-Coulomb and Dirac-Coulomb-Magnetic Hamiltonians with various basis sets. In order to understand what may happen when the relativity becomes significant, the value of c, speed of light, is varied from the true value of 137.036 a.u. to 105 (nonrelativistic case) and also to 50 and 20 a.u. (exaggerated relativistic cases). Qualitative trends are discussed with special emphasis on the effect of the magnetic part of the Breit interaction term. The known relativistic effects on bonding such as the bond length contraction or expansion are demonstrated in this model study. Total energy, $\pi-orbital$ splitting, bond length, bond dissociation energy and dipole moment are calculated, and shown to be modified in a uniform direction by the effect of the magnetic term. Inclusion of the magnetic term raises the total energy, increases the bond length, reduces the $\pi-orbital$ splitting, increases the bond dissociation energy, and mitigates the changes in dipole moment caused by the Dirac term.

• Bulletin of the Korean Chemical Society
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• v.16 no.6
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• pp.547-552
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• 1995

As an extension to the Kramers' restricted Hartree-Fock (KRHF) method [J. Comp. Chem., 13, 595 (1992)], we have implemented the Kramers' restricted configuration interaction (KRCI) program in order to calculate excited states as well as the ground state of polyatomic molecules containing heavy atoms. This KRCI is based on determinants composed of the two-component molecular spinors which are generated from KRHF calculations. The Hamiltonian employed in the KRHF and KRCI methods contains most of all the important relativistic effects including spin-orbit terms through the use of relativistic effective core potentials (REP). The present program which is limited to a small configuration space has been tested for a few atoms and molecules. Excitation energies of the group 14 and 16 elements calculated using the present KRCI program are in good accordance with the spectroscopic data. Calculated excitation energies for many Rydberg states of K and Cs indicate that spin-orbit terms in the REP, which are derived for the ground state, are also reliable for the description of highly excited states. The electronic states of the polyatomic molecule CH3I are probed from the molecular region to the dissociation limit. Test calculations demonstrate that the present KRCI is a useful method for the description of potential energy surface of polyatomic molecules containing heavy atoms.

• Smart Structures and Systems
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• v.5 no.1
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• pp.69-79
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• 2009

A non-clipped semi-active stochastic optimal control strategy for nonlinear structural systems with MR dampers is developed based on the stochastic averaging method and stochastic dynamical programming principle. A nonlinear stochastic control structure is first modeled as a semi-actively controlled, stochastically excited and dissipated Hamiltonian system. The control force of an MR damper is separated into passive and semi-active parts. The passive control force components, coupled in structural mode space, are incorporated in the drift coefficients by directly using the stochastic averaging method. Then the stochastic dynamical programming principle is applied to establish a dynamical programming equation, from which the semi-active optimal control law is determined and implementable by MR dampers without clipping in terms of the Bingham model. Under the condition on the control performance function given in section 3, the expressions of nonlinear and linear non-clipped semi-active optimal control force components are obtained as well as the non-clipped semi-active LQG control force, and thus the value function and semi-active nonlinear optimal control force are actually existent according to the developed strategy. An example of the controlled stochastic hysteretic column is given to illustrate the application and effectiveness of the developed semi-active optimal control strategy.